1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-8-yl)thiourea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-8-yl)thiourea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-8-yl)thiourea Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(CC(S2)(C)C)(C)C)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(CC(S2)(C)C)(C)C)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O2S2/c1-13-7-9-16-19(29-22(5,6)12-21(16,3)4)18(13)24-20(28)23-17-10-8-15(25(26)27)11-14(17)2/h7-11H,12H2,1-6H3,(H2,23,24,28)